Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C(c2ccccc2)c2ccccc2)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	AGYPLZHKXMPAFZ-UHFFFAOYSA-N
Molecular Formula	C70H43N7O
Exact Mass	998.137 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AGYPLZHKXMPAFZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AGYPLZHKXMPAFZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:02:54.067067
MetadataModified	2024-09-07T16:29:00.110130
MetadataPublished	2020-02-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453731	PubChem
The data in this table is sourced from UniChem at EBI.